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Home > Bromides > 1155261-18-9
1155261-18-9 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-7-methoxy-2-methyl-
CAS No: 1155261-18-9 Catalog No: AG000G3L MDL No:MFCD18072922
Product Description
Catalog Number:
AG000G3L
Chemical Name:
1H-Inden-1-one, 4-bromo-2,3-dihydro-7-methoxy-2-methyl-
CAS Number:
1155261-18-9
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
MDL Number:
MFCD18072922
IUPAC Name:
4-bromo-7-methoxy-2-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H11BrO2/c1-6-5-7-8(12)3-4-9(14-2)10(7)11(6)13/h3-4,6H,5H2,1-2H3
InChI Key:
ISJINHANGLBGCN-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)C(C2)C)Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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